Mg3ZnAg
Alexandria ALEXAlex-ID: agm013471920 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1673_spg2
MgZn Mg2Ag
2024-05-29 18:46:34.271618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013471920).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm013471920
data_agm013471920
_cell_length_a 6.04361
_cell_length_b 6.04361
_cell_length_c 6.12292
_cell_angle_alpha 79.05422
_cell_angle_beta 79.05422
_cell_angle_gamma 104.14400
_cell_volume 206.25445
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.43841 0.95320 0.77455 1.00000
Mg2 Mg 0.95320 0.43841 0.77455 1.00000
Mg3 Mg 0.04680 0.56159 0.22545 1.00000
Mg4 Mg 0.47087 0.47087 0.75446 1.00000
Mg5 Mg 0.56159 0.04680 0.22545 1.00000
Mg6 Mg 0.52913 0.52913 0.24554 1.00000
Zn1 Zn 0.82954 0.82954 0.46993 1.00000
Zn2 Zn 0.17046 0.17046 0.53007 1.00000
Ag1 Ag 0.14322 0.14322 0.10563 1.00000
Ag2 Ag 0.85678 0.85678 0.89437 1.00000
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